SCHEMBL17445097

SCHEMBL17445097

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3-c3ccccc3)cc2nc1N1CC[C@H](C)C1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.44
HCRTR2 O43614 18/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17445098 0.93 HCRTR2 (0.40) HCRTR1HCRTR2
SCHEMBL2737589 0.93 HSP90AA1 (0.39)
SCHEMBL19447514 0.92 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2737752 0.91 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL17444983 0.90 HSP90AA1 (0.41) HCRTR1HCRTR2
SCHEMBL17444996 0.90 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL17444981 0.90 GRM5 (0.39) HCRTR1HCRTR2
SCHEMBL17445095 0.90 GRM5 (0.40) HCRTR1HCRTR2
SCHEMBL15077246 0.90 HSP90AA1 (0.40) HCRTR1HCRTR2
SCHEMBL15316902 0.89 GRM5 (0.37)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 US disclosed